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You searched for: creator:"Dane Morgan"
[texts]Absolute Beginner's Guide to Installing WordPress - Dane Morgan
This ebook provides a step by step guide to installing the popular WordPress Blogging software. It covers every step from downloading the software to logging in to your new blog. It contains extensive screen shots to give you a picture of what is being described in the directions. With this ebook anyone should be able to get there own WordPress blog installed quickly and easily. The ebook is provided as a .PDF for those wishing to read it and a .doc for those wishing to create derivative works.
Keywords: blogs; blogging; wordpress
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[texts]Accuracy of ab initio methods in predicting the crystal structures of metals: review of 80 binary alloys - Stefano Curtarolo
Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo*, AgNa, AgNb*, AgPd, AgRh*, AgRu*, AgTc*, AgTi, AgY, AgZr, AlSc, AuCd, AuMo*, AuNb, AuPd, AuPt*, AuRh*, AuRu*, AuSc, AuTc*, AuTi, AuY, AuZr, CdMo*, CdNb*, CdPd, CdPt, CdRh, CdRu*, CdTc*, CdTi, CdY, CdZr, CrMg*, MoNb, MoPd, MoPt, MoRh, MoRu, MoTc*, MoTi, MoY*, MoZr, NbPd, N...
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[texts]Predicting Crystal Structures with Data Mining of Quantum Calculations - Stefano Curtarolo
Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures, or with empirical rules that have been extracted from a large amount of experimental information, but have limited predictive power. In this letter, we transfer the concept of heuristic rule extraction to a large library of ab-initio calculated information, an...
Downloads: 3
[texts]Coarse-graining protein energetics in sequence variables - Fei Zhou
We show that cluster expansions (CE), previously used to model solid-state materials with binary or ternary configurational disorder, can be extended to the protein design problem. We present a generalized CE framework, in which properties such as energy can be unambiguously expanded in the amino-acid sequence space. The CE coarse grains over nonsequence degrees of freedom (e.g., side-chain conformations) and thereby simplifies the problem of designing proteins, or predicting the compatibility o...
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[texts]First-principles prediction of redox potentials in transition-metal compounds with LDA+U - Fei Zhou
First-principles calculations within the Local Density Approximation (LDA) or Generalized Gradient Approximation (GGA), though very successful, are known to underestimate redox potentials, such as those at which lithium intercalates in transition metal compounds. We argue that this inaccuracy is related to the lack of cancellation of electron self-interaction errors in LDA/GGA and can be improved by using the DFT+$U$ method with a self-consistent evaluation of the $U$ parameter...
Downloads: 15
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